CID 3001234

1-cyclohexyl-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea

Structural Information

Molecular Formula
C18H21N3O2S
SMILES
C1CCC(CC1)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C18H21N3O2S/c22-16-11-13-7-5-4-6-12(13)10-15(16)17(23)20-21-18(24)19-14-8-2-1-3-9-14/h4-7,10-11,14,22H,1-3,8-9H2,(H,20,23)(H2,19,21,24)
InChIKey
MQIZMBACDJHSFW-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.13544 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14272 174.7
[M+Na]+ 366.12466 176.8
[M-H]- 342.12816 179.1
[M+NH4]+ 361.16926 187.3
[M+K]+ 382.09860 171.4
[M+H-H2O]+ 326.13270 166.8
[M+HCOO]- 388.13364 188.3
[M+CH3COO]- 402.14929 213.4
[M+Na-2H]- 364.11011 177.1
[M]+ 343.13489 169.0
[M]- 343.13599 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.